5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide

C10H12N4O5S2 — CID 132961364

IUPAC5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H12N4O5S2/c1-5-2-3-6(4-7(5)20(12,15)16)8-9(21(13,17)18)10(11)19-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)
InChIKeyRSIDZAKDVUGKLQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.47
Rot. Bonds3

About 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide

5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide (PubChem CID 132961364) has the molecular formula C10H12N4O5S2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide
PubChem CID132961364
Molecular FormulaC10H12N4O5S2
Molecular Weight332.36 g/mol
Exact Mass332.02
IUPAC Name5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide
SMILESCc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O
InChIInChI=1S/C10H12N4O5S2/c1-5-2-3-6(4-7(5)20(12,15)16)8-9(21(13,17)18)10(11)19-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18)
InChIKeyRSIDZAKDVUGKLQ-UHFFFAOYSA-N
XLogP-0.47
TPSA172.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide?
The IUPAC name of 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide (CID 132961364) is 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide is Cc1ccc(-c2noc(N)c2S(N)(=O)=O)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide?
The InChIKey is RSIDZAKDVUGKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5S2/c1-5-2-3-6(4-7(5)20(12,15)16)8-9(21(13,17)18)10(11)19-14-8/h2-4H,11H2,1H3,(H2,12,15,16)(H2,13,17,18).
What are the key properties of 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide?
5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide has a molecular weight of 332.36 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-methyl-3-sulfamoylphenyl)-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 132961364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).